کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1378283 981997 2007 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantitative structure–activity relationship (QSAR) of tacrine derivatives against acetylcholinesterase (AChE) activity using variable selections
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Quantitative structure–activity relationship (QSAR) of tacrine derivatives against acetylcholinesterase (AChE) activity using variable selections
چکیده انگلیسی

A diverse approach to the quantitative structure–activity relationship (QSAR) of tacrine derivatives against acetylcholinesterase (AChE) activity was studied using variable selections of stepwise multiple linear regression (MLR), genetic algorithm (GA)-MLR, and simulated annealing (SA)-MLR. AChE activity (log RA) of tacrine derivatives was expressed with acceptable explanation (95.5–95.9%) and good predictive power (94.5–95.2%), respectively, in the models. The best equation was obtained from simulated annealing (SA) MLR with greater explanatory capability and better prediction, with a smaller standard error than other methods. The resulting models with the given descriptors illustrate the significant roles of hydrophobic and electrostatic interaction on increasing AChE activity, but hydrophilic and topological feature of molecules were shown to decrease AChE activity.

A diverse approach to the QSAR of tacrine derivatives against acetylcholinesterase (AChE) activity was studied using variable selections of stepwise multiple linear regression (MLR).Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry Letters - Volume 17, Issue 4, 15 February 2007, Pages 1082–1090
نویسندگان
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